ethyl 2-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfanylacetate

C11H17NO4S — CID 43793932

IUPACethyl 2-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfanylacetate
SMILESCCOC(=O)CSCC(=O)N1CCC(=O)CC1
InChIInChI=1S/C11H17NO4S/c1-2-16-11(15)8-17-7-10(14)12-5-3-9(13)4-6-12/h2-8H2,1H3
InChIKeyGCPKCIOYZJHAPD-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.47
Rot. Bonds5

About ethyl 2-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfanylacetate

ethyl 2-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfanylacetate (PubChem CID 43793932) has the molecular formula C11H17NO4S and a molecular weight of 259.33 g/mol. Its IUPAC name is ethyl 2-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfanylacetate
PubChem CID43793932
Molecular FormulaC11H17NO4S
Molecular Weight259.33 g/mol
Exact Mass259.09
IUPAC Nameethyl 2-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfanylacetate
SMILESCCOC(=O)CSCC(=O)N1CCC(=O)CC1
InChIInChI=1S/C11H17NO4S/c1-2-16-11(15)8-17-7-10(14)12-5-3-9(13)4-6-12/h2-8H2,1H3
InChIKeyGCPKCIOYZJHAPD-UHFFFAOYSA-N
XLogP0.47
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfanylacetate?
The IUPAC name of ethyl 2-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfanylacetate (CID 43793932) is ethyl 2-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfanylacetate.
What is the SMILES notation for ethyl 2-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfanylacetate?
The canonical SMILES for ethyl 2-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfanylacetate is CCOC(=O)CSCC(=O)N1CCC(=O)CC1.
What is the InChIKey of ethyl 2-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfanylacetate?
The InChIKey is GCPKCIOYZJHAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4S/c1-2-16-11(15)8-17-7-10(14)12-5-3-9(13)4-6-12/h2-8H2,1H3.
What are the key properties of ethyl 2-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfanylacetate?
ethyl 2-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfanylacetate has a molecular weight of 259.33 g/mol, XLogP of 0.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfanylacetate is sourced from PubChem (CID 43793932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).